priyanka srivastava wrote:
Dear Mark,
Thanx for your reply.
Chapter 5 describes it, but I guess that is described
in a more general way! GORMOS87 uses a different kind
of scaling which is not mentioned in chapter 5 and
hence I am just curious to know whether GROMOS96 also
uses same scaling scheme as is used for GROMOS87 or a
different one, or the one that is mentioned in
chapter5. Also, this is specific to the [pairtypes] in
lipid.itp.
regards,
Pri...
neither gromos version uses a linear scaling method, they have a matrix
of atomtypes where some interactions are scaled down for the 1-4s. Ths
is why you will find a large pairtype section in the ffGxxxnb.itp.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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